# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9PW' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -4.03600 0.29600 -2.71000 1.000 C1 C -2.54700 0.56100 -2.94500 1.000 C2 C -2.31100 0.87300 -4.42400 1.000 C3 C -4.27400 0.04300 -1.21800 1.000 C4 C 8.50400 -1.33600 0.67100 1.000 C5 C 9.08500 -1.72200 -0.51600 1.000 C6 C 8.62000 -2.87000 -1.17900 1.000 N7 N 9.18100 -3.25600 -2.33900 1.000 O8 O 8.77400 -4.25200 -2.91000 1.000 O9 O 10.09500 -2.60900 -2.81800 1.000 C10 C 7.56500 -3.61300 -0.62200 1.000 C11 C 6.99900 -3.20900 0.56700 1.000 C12 C 7.46500 -2.07500 1.21200 1.000 C13 C 6.84100 -1.64700 2.51600 1.000 O14 O 5.75600 -0.75600 2.25400 1.000 C15 C 5.09200 -0.28700 3.43000 1.000 C16 C 3.97100 0.64000 3.03800 1.000 C17 C 3.61400 0.99400 1.78100 1.000 N18 N 3.12900 1.27200 3.86400 1.000 N19 N 2.30900 1.97400 3.16500 1.000 N20 N 2.56000 1.83300 1.91100 1.000 C21 C 1.83400 2.47400 0.81200 1.000 C22 C 0.34200 2.14900 0.92700 1.000 O23 O 0.15000 0.73800 0.80200 1.000 O24 O 2.01800 3.88900 0.88100 1.000 C25 C 1.36900 4.61400 -0.16500 1.000 C26 C 1.65700 6.10800 -0.00600 1.000 O27 O 3.05400 6.34600 -0.19200 1.000 C28 C -0.14100 4.37500 -0.09000 1.000 O29 O -0.78700 5.05300 -1.16900 1.000 C30 C -0.41800 2.87200 -0.18900 1.000 O31 O -1.81900 2.63300 -0.04600 1.000 C32 C -2.28600 1.47600 -0.74300 1.000 C33 C -3.76500 1.24800 -0.42100 1.000 O34 O -3.91500 0.99300 0.97800 1.000 O35 O -2.13200 1.67400 -2.15000 1.000 O36 O -0.90900 1.00600 -4.66400 1.000 O37 O -4.44100 -0.85200 -3.45900 1.000 O38 O -5.67200 -0.13300 -0.97900 1.000 C39 C -5.96900 -0.99500 0.12100 1.000 O40 O -5.52000 -2.31900 -0.17600 1.000 C41 C -5.74700 -3.26100 0.87400 1.000 C42 C -5.20400 -4.62900 0.45800 1.000 O43 O -3.78300 -4.55500 0.31700 1.000 C44 C -7.25000 -3.36900 1.14500 1.000 O45 O -7.47600 -4.26700 2.23300 1.000 C46 C -7.79800 -1.98400 1.50200 1.000 O47 O -9.21300 -2.06200 1.68400 1.000 C48 C -7.48100 -1.01200 0.36100 1.000 O49 O -7.92400 0.30000 0.71500 1.000 H50 H -4.61500 1.16200 -3.03000 1.000 H51 H -1.97200 -0.32100 -2.66300 1.000 H52 H -2.70900 0.06300 -5.03400 1.000 H53 H -2.81400 1.80500 -4.68300 1.000 H54 H -3.73400 -0.85200 -0.91000 1.000 H55 H 8.86300 -0.45600 1.18500 1.000 H56 H 9.89500 -1.14300 -0.93600 1.000 H57 H 7.20000 -4.49700 -1.12300 1.000 H58 H 6.18800 -3.77800 0.99700 1.000 H59 H 6.47200 -2.52400 3.04700 1.000 H60 H 7.58900 -1.14000 3.12700 1.000 H61 H 4.68600 -1.13600 3.98000 1.000 H62 H 5.80300 0.24700 4.06000 1.000 H63 H 4.07700 0.67200 0.86100 1.000 H64 H 2.21400 2.10400 -0.14000 1.000 H65 H -0.02900 2.48200 1.89600 1.000 H66 H 0.60800 0.21700 1.47500 1.000 H67 H 1.74300 4.27300 -1.13000 1.000 H68 H 1.09200 6.66900 -0.75000 1.000 H69 H 1.36300 6.43100 0.99300 1.000 H70 H 3.31000 7.27500 -0.10500 1.000 H71 H -0.52300 4.75300 0.85900 1.000 H72 H -0.65000 6.01000 -1.17000 1.000 H73 H -0.08100 2.50200 -1.15800 1.000 H74 H -1.70800 0.60600 -0.43300 1.000 H75 H -4.33900 2.13400 -0.69300 1.000 H76 H -3.61200 1.71600 1.54400 1.000 H77 H -0.68400 1.20500 -5.58400 1.000 H78 H -4.31800 -0.76200 -4.41400 1.000 H79 H -5.46300 -0.63100 1.01500 1.000 H80 H -5.23800 -2.92700 1.77800 1.000 H81 H -5.45500 -5.36700 1.22000 1.000 H82 H -5.64800 -4.92300 -0.49300 1.000 H83 H -3.37000 -5.38800 0.05500 1.000 H84 H -7.75500 -3.74100 0.25300 1.000 H85 H -8.40900 -4.38400 2.46000 1.000 H86 H -7.32900 -1.63200 2.42100 1.000 H87 H -9.62700 -1.21800 1.91300 1.000 H88 H -7.99000 -1.33700 -0.54600 1.000 H89 H -7.75400 0.96900 0.03700 1.000 H90 H 9.20800 -4.48900 -3.74100 1.000